ChemSpider 2D Image | (1S,15R,16S)-5-(Cyclopropylmethyl)-11,15-dihydroxy-N-phenyl-13,17-dioxa-5-azahexacyclo[13.2.2.1~2,8~.0~1,6~.0~2,14~.0~12,20~]icosa-8(20),9,11-triene-16-carboximidic acid | C28H30N2O5

(1S,15R,16S)-5-(Cyclopropylmethyl)-11,15-dihydroxy-N-phenyl-13,17-dioxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene-16-carboximidic acid

  • Molecular FormulaC28H30N2O5
  • Average mass474.548 Da
  • Monoisotopic mass474.215485 Da
  • ChemSpider ID57643020

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,15R,16S)-5-(Cyclopropylmethyl)-11,15-dihydroxy-N-phenyl-13,17-dioxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-carboximidsäure [German] [ACD/IUPAC Name]
(1S,15R,16S)-5-(Cyclopropylmethyl)-11,15-dihydroxy-N-phenyl-13,17-dioxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene-16-carboximidic acid [ACD/IUPAC Name]
4a,7-Ethano-4,12-methano-1H,6H-benzofuro[3',2':3,4]pyrano[2,3-c]pyridine-6-carboximidic acid, 3-(cyclopropylmethyl)-2,3,4,7,7a-pentahydro-7,9-dihydroxy-N-phenyl-, (4aS,6S,7R)- [ACD/Index Name]
Acide (1S,15R,16S)-5-(cyclopropylméthyl)-11,15-dihydroxy-N-phényl-13,17-dioxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triène-16-carboximidique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.806
Molar Refractivity: 125.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.64
Polar Surface Area: 95 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 73.0±7.0 dyne/cm
Molar Volume: 291.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement